NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 H 4.9261 8.3027 117.7869 55.6950 30.1908 172.2491 0 H 4.7514 8.8227 123.3240 55.1736 30.9729 172.6849 2 K 4.8988 8.7881 120.9544 54.4453 36.3601 174.4943 3 L 4.9436 8.9718 126.4561 53.6723 44.0751 174.6733 4 L 5.1459 9.0541 128.5839 53.0710 44.7665 174.6807 5 K 4.8498 8.7771 127.3841 54.4748 35.1810 174.5093 6 I 5.0637 8.5414 127.7552 59.7684 40.5537 173.8749 7 Y 5.2979 9.5896 125.3374 56.2286 40.6458 174.9843 8 L 5.1225 9.0137 123.2332 54.5683 45.1369 174.8468 9 G 4.2022 9.2202 106.3032 45.1943 0.0000 174.9234 10 E 4.0827 8.9034 123.9342 59.0532 29.7253 178.4249 11 K 4.2954 8.8908 116.0576 57.4579 32.6442 177.1361 12 D 4.5777 8.0016 120.5436 54.3257 41.3091 175.5793 13 K 5.0611 8.4547 121.6073 54.7423 35.7998 175.2375 14 H 4.4954 9.1613 121.7160 55.1498 31.8939 173.8077 15 S 3.8404 9.1615 124.8117 59.6965 59.7062 174.0083 16 G 3.9884 8.0346 106.0883 45.9120 0.0000 173.5245 17 K 4.5497 7.1990 118.4518 53.7775 34.5634 173.9504 18 P 4.6671 0.0000 0.0000 62.4515 32.3984 177.5602 19 L 4.0096 8.7264 125.2225 58.1037 42.1146 179.1576 20 F 4.3544 8.3278 114.3066 60.0522 37.8590 177.2052 21 E 3.6737 6.9633 118.5661 59.0661 29.1899 178.4441 22 Y 3.9487 7.8698 119.5582 60.5712 38.7756 178.0838 23 L 4.0193 8.5020 120.3530 57.9599 41.7832 179.7419 24 V 3.5979 7.8907 118.1110 65.7310 31.3449 178.0405 25 K 3.9225 7.9111 119.4650 59.2941 31.9517 179.1189 26 R 3.7939 7.9322 118.3116 59.0892 29.7730 178.5475 27 A 3.5403 8.1160 119.7844 55.4840 18.6583 178.8352 28 Y 3.9392 7.9398 117.6400 60.8632 38.6816 177.8875 29 E 4.0453 8.2859 118.5655 59.2249 29.6691 178.6916 30 L 4.3417 8.0018 116.9509 53.9833 41.7840 173.5410 31 G 3.5749 7.2266 115.3669 45.0303 0.0000 173.7236 *33 K 4.1618 8.5661 124.5548 55.1858 34.0207 176.0038 34 G 3.9789 7.2955 105.8109 45.6040 0.0000 171.8344 35 V 4.7391 7.8678 117.3405 60.5543 34.4025 174.1152 36 T 4.5342 9.0967 119.3385 61.7148 72.0066 172.9004 37 V 4.8308 8.1918 125.2915 61.2888 33.8462 174.1124 38 Y 4.8734 9.2258 124.7805 56.0957 41.9452 174.3092 39 R 4.8175 8.5878 121.6709 54.6034 32.2589 175.8376 40 G 4.1068 8.7397 114.4317 45.6147 0.0000 173.2870 41 I 4.2666 8.2824 111.0133 60.7894 38.1550 175.6473 *43 G 3.7868 7.6821 109.4812 45.8740 0.0000 171.9427 44 F 5.1063 7.7973 113.2379 55.3986 41.2269 174.3283 45 G 4.1647 8.9091 110.5607 45.4540 0.0000 171.3087 46 H 3.9618 9.1700 116.6509 55.3350 28.7836 173.1600 *60 P 4.0404 0.0000 0.0000 62.6306 32.0007 175.0867 61 D 4.8245 8.6381 122.8807 52.5019 42.2404 174.8735 62 L 4.6621 8.1912 125.5985 52.5755 44.2986 174.5743 63 P 4.8021 0.0000 0.0000 63.0157 32.8024 175.2188 64 I 4.8805 8.8745 124.4307 59.4099 40.2815 174.6598 65 V 4.6678 8.7235 126.2578 60.9845 34.4106 173.9430 66 L 5.2467 8.7713 127.7480 53.0614 44.4273 175.1273 67 E 5.0819 9.2952 122.8198 54.5652 32.9327 174.9594 68 I 4.6863 8.5818 124.5947 59.3921 40.5956 174.4657 69 V 4.7788 8.3251 127.1063 61.4233 33.0495 173.9152 70 D 4.6502 8.8275 126.4760 52.9431 45.6688 174.0590 71 E 4.2519 8.7046 119.9008 56.1819 30.2044 177.8488 72 E 3.9408 9.0561 122.9108 59.8581 29.4980 179.2631 73 E 3.9929 8.1605 117.7410 59.5280 29.5174 179.4888 74 R 3.9348 7.8830 117.5276 59.2263 30.2237 178.9116 75 I 3.7612 7.7843 119.6224 64.6036 37.2648 178.1382 76 N 4.4165 8.5706 117.6352 56.2738 37.8555 177.2676 77 L 3.9951 7.9159 121.6985 58.0620 42.2462 178.6758 78 F 4.3207 8.5035 120.7650 61.4334 39.2345 176.8898 79 L 3.9786 8.4365 118.9663 57.9896 41.2082 179.7575 80 K 4.0321 7.7913 116.8649 59.2554 32.0640 179.1445 81 E 4.0625 7.8581 118.2786 59.6380 29.6260 179.2111 82 I 3.6198 7.4703 119.6830 64.5017 36.8173 177.9337 83 D 4.4026 7.8111 120.4110 57.9168 41.2256 177.6840 84 N 4.5271 7.8173 114.3424 53.6850 37.8162 176.3583 85 I 4.3134 7.4503 120.7482 61.1840 38.3567 175.9334 86 D 4.6730 8.7033 125.2057 52.3096 39.1202 172.0932 87 F 5.1736 8.1894 121.3135 54.8539 42.7304 175.7329 88 D 4.0624 9.4456 122.8951 53.4512 38.5676 180.0457 89 G 4.3226 9.1813 107.1822 45.9317 0.0000 172.7894 90 L 4.5839 8.2067 121.1696 53.9967 45.6835 174.4421 91 V 5.2418 8.5558 124.9148 61.1886 34.2253 174.3328 92 F 5.3538 9.1844 122.0203 55.5324 41.7758 173.3200 93 T 5.7966 8.9439 108.5119 59.5594 71.9869 172.6177 94 A 4.7885 8.2220 121.2943 51.0125 22.7291 175.0812 95 D 5.0118 8.7151 120.1798 54.1725 42.1275 176.3204 96 V 4.6112 8.2824 114.4075 59.7258 36.9379 173.6372 97 N 4.9755 8.6377 120.4356 51.9252 40.3526 173.9805 98 V 3.9647 8.4271 127.4495 62.4099 32.4784 175.3746 99 V 4.2834 8.2701 127.1101 61.1518 33.0785 175.5850 100 K 4.1938 8.5729 124.9043 56.7570 32.0494 176.6800 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ -1 H 8.30 4.93 0.00 3.26 3.33 0.00 5.59 0.00 0.00 0.00 0.00 6.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 H 8.82 4.75 0.00 3.26 3.24 0.00 5.49 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 K 8.79 4.90 0.00 1.69 1.66 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.52 7.81 3 L 8.97 4.94 0.00 1.76 1.58 0.94 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 4 L 9.05 5.15 0.00 1.75 1.47 1.04 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.78 4.85 0.00 0.97 0.74 0.00 1.49 0.00 0.00 1.72 0.00 0.00 2.54 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.71 1.13 7.81 6 I 8.54 5.06 1.90 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.76 1.05 0.00 0.00 7 Y 9.59 5.30 0.00 2.91 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 9.01 5.12 0.00 1.95 1.88 0.80 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 9 G 9.22 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.90 4.08 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 11 K 8.89 4.30 0.00 2.03 1.89 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.52 1.45 7.81 12 D 8.00 4.58 0.00 2.98 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.45 5.06 0.00 1.69 1.65 0.00 1.72 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.33 7.81 14 H 9.16 4.50 0.00 2.90 2.81 0.00 5.93 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 9.16 3.84 0.00 3.95 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.03 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.20 4.55 0.00 1.96 1.68 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.56 7.81 18 P 0.00 4.67 0.00 1.69 1.93 0.00 3.49 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 19 L 8.73 4.01 0.00 1.77 1.69 0.86 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 20 F 8.33 4.35 0.00 3.23 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 6.96 3.67 0.00 1.80 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.47 0.00 22 Y 7.87 3.95 0.00 3.09 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.50 4.02 0.00 1.92 1.87 0.74 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.89 3.60 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.06 0.00 0.00 25 K 7.91 3.92 0.00 1.88 1.72 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.38 7.81 26 R 7.93 3.79 0.00 2.08 2.18 0.00 3.24 0.00 0.00 2.86 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.50 0.00 27 A 8.12 3.54 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Y 7.94 3.94 0.00 3.16 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.29 4.05 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.55 0.00 30 L 8.00 4.34 0.00 1.69 1.72 1.20 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.23 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *33 K 8.57 4.16 0.00 1.80 1.88 0.00 1.96 0.00 0.00 1.67 0.00 0.00 2.79 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.39 7.81 34 G 7.30 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 7.87 4.74 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.93 0.00 0.00 36 T 9.10 4.53 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 37 V 8.19 4.83 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.97 0.00 0.00 38 Y 9.23 4.87 0.00 2.77 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.59 4.82 0.00 1.68 1.76 0.00 3.20 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.62 0.00 40 G 8.74 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.28 4.27 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.74 0.92 0.00 0.00 *43 G 7.68 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 F 7.80 5.11 0.00 3.03 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 G 8.91 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 H 9.17 3.96 0.00 3.25 3.66 0.00 5.93 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *60 P 0.00 4.04 0.00 2.20 2.13 0.00 3.47 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.09 0.00 61 D 8.64 4.82 0.00 2.69 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.19 4.66 0.00 1.77 1.70 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.80 0.00 2.11 2.06 0.00 3.62 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 64 I 8.87 4.88 1.70 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.31 0.56 0.00 0.00 65 V 8.72 4.67 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.64 0.00 0.00 66 L 8.77 5.25 0.00 1.65 1.54 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 67 E 9.30 5.08 0.00 1.94 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.31 0.00 68 I 8.58 4.69 1.79 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.58 0.80 0.00 0.00 69 V 8.33 4.78 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.93 0.00 0.00 70 D 8.83 4.65 0.00 2.66 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.70 4.25 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.23 0.00 72 E 9.06 3.94 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 73 E 8.16 3.99 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 74 R 7.88 3.93 0.00 1.91 1.94 0.00 3.46 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 75 I 7.78 3.76 1.90 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.50 0.97 0.00 0.00 76 N 8.57 4.42 0.00 2.97 2.91 0.00 0.00 6.71 6.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.92 4.00 0.00 1.96 1.92 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 78 F 8.50 4.32 0.00 3.17 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.44 3.98 0.00 1.89 1.74 0.98 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 80 K 7.79 4.03 0.00 2.21 1.89 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.48 1.35 7.81 81 E 7.86 4.06 0.00 2.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 82 I 7.47 3.62 1.93 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.50 1.08 0.00 0.00 83 D 7.81 4.40 0.00 2.76 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 7.82 4.53 0.00 2.74 2.71 0.00 0.00 7.04 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 I 7.45 4.31 2.17 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.03 1.07 0.00 0.00 86 D 8.70 4.67 0.00 2.70 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 F 8.19 5.17 0.00 3.12 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 D 9.45 4.06 0.00 2.72 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 G 9.18 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.21 4.58 0.00 1.70 1.46 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 91 V 8.56 5.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.11 0.00 0.00 92 F 9.18 5.35 0.00 3.10 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 T 8.94 5.80 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 94 A 8.22 4.79 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 D 8.72 5.01 0.00 2.64 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.28 4.61 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.93 0.00 0.00 97 N 8.64 4.98 0.00 2.70 2.71 0.00 0.00 6.94 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.43 3.96 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.93 0.00 0.00 99 V 8.27 4.28 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.93 0.00 0.00 100 K 8.57 4.19 0.00 1.82 1.72 0.00 1.86 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.54 1.43 7.81 * Residues marked with a * may have inaccurate shift predictions.